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1901-26-4

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Basic Information
CAS No.: 1901-26-4
Name: 3-methyl-4-phenyl-3-buten-2-one
Article Data: 36
Molecular Structure:
Molecular Structure of 1901-26-4 (3-methyl-4-phenyl-3-buten-2-one)
Formula: C11H12 O
Molecular Weight: 160.216
Synonyms: 3-Methyl-4-phenylbut-3-en-2-one;4-Phenyl-3-methyl-3-buten-2-one; Methyl a-methylstyryl ketone; NSC 46888
EINECS: 217-599-1
Density: 0.999g/cm3
Melting Point: 37-38 °C
Boiling Point: 269.6°Cat760mmHg
Flash Point: 96.3°C
Safety: Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 2.67890
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Chemistry

Molecular Formula: C11H12O
Molecular Weight: 160.21
CAS Registry Number: 1901-26-4
EINECS: 217-599-1
Density: 0.999 g/cm3 
Flash Point: 96.3 °C 
Index of Refraction: 1.552 
Enthalpy of Vaporization : 50.77 kJ/mol 
Vapour Pressure: 0.00719 mmHg at 25°C 
IUPAC Name: (E)-3-methyl-4-phenylbut-3-en-2-one
Boiling Point of 3-Methyl-4-phenyl-3-buten-2-one (CAS NO.1901-26-4): 269.6 °C at 760 mmHg 
Synonyms: 3-Methyl-4-phenyl-3-buten-2-one (CAS NO.1901-26-4) ; 3-Buten-2-one, 3-methyl-4-phenyl- ; Alpha-methyl-alpha-benzalacetone ; 1-Methyl-1-benzylidene-acetone ; 3-Benzylidene-2-butanone ; Benzilidenemethylacetone ; 1-Phenyl-2-methyl-1-butene-3-one
Following is the molecular structure of 3-Methyl-4-phenyl-3-buten-2-one (CAS NO.1901-26-4):

Toxicity Data With Reference

1.    

orl-rat LD50:4100 mg/kg

     JACTDZ    Journal of the American College of Toxicology. 1 (1990),96.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.